4-[[(5Z)-5-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate

Formula:C27H20N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(5Z)-5-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate is a drug-like molecule.

MolName	4-[[(5Z)-5-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
MolecularFormula	C27H20N3O4S
Smiles	CCN(C(/C(/S1)=C/c(cccc2)c2OCc(cccc2)c2C#N)=O)/C1=N\c(cc1)ccc1C([O-])=O
InChI	InChI=1S/C27H21N3O4S/c1-2-30-25(31)24(35-27(30)29-22-13-11-18(12-14-22)26(32)33)15-19-7-5-6-10-23(19)34-17-21-9-4-3-8-20(21)16-28/h3-15H,2,17H2,1H3,(H,32,33)/p-1
InChIK	XKBHJGJUASSFGU-UHFFFAOYSA-M
TotalMolweight	482.539
Molweight	482.539
MonoisotopicMass	482.117452
CLogP	2.1819
CLogS	-6.432
H Acceptors	7
TotalSurfaceArea	369.27
Relative PSA	0.26125
PolarSurfaceArea	131.12
Druglikeness	0.20727
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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